%chk=000228952.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228952

0 1
Cl 3.674946 -1.190015 2.639205
Cl 3.696104 -0.259104 -2.846199
Cl 4.663817 -2.516695 -0.403858
Cl 5.680384 0.089880 0.042408
Cl 0.921095 -2.268681 1.404206
Cl 0.934469 -1.681345 -2.056894
O 1.121119 1.306920 2.573368
O 1.138671 2.079533 -1.979450
N 0.832396 1.792000 0.312574
C 2.931054 0.867802 0.959061
C 2.937019 1.130154 -0.586859
C 3.191674 -0.664904 1.065575
C 3.200378 -0.281932 -1.191104
C 4.222661 -0.857061 -0.123912
C 1.987603 -1.398629 0.462493
C 1.992752 -1.172006 -0.872893
C 1.547829 1.308319 1.451202
C 1.556964 1.710129 -0.916477
C -0.599053 2.193752 0.375234
C -1.513023 0.977828 0.165248
C -2.987851 1.392645 0.230162
C -3.913074 0.185913 0.021983
C -5.390298 0.596738 0.086012
C -6.316259 -0.609353 -0.121936
C -7.793500 -0.199144 -0.058237
C -8.721227 -1.404627 -0.265938
C -10.192985 -1.002088 -0.203583
H 3.716970 1.442602 1.501032
H 3.726247 1.850571 -0.902943
H -0.778674 2.965396 -0.408829
H -0.785562 2.663611 1.368664
H -1.301267 0.205710 0.932282
H -1.294707 0.502049 -0.812158
H -3.199492 2.163012 -0.537300
H -3.205975 1.867013 1.207224
H -3.697455 -0.290892 -0.953969
H -3.704102 -0.586259 0.787749
H -5.600944 1.368236 -0.679717
H -5.607558 1.073069 1.061630
H -6.100180 -1.086239 -1.097470
H -6.106999 -1.381200 0.643726
H -8.011868 0.277732 0.916571
H -8.005088 0.572310 -0.823376
H -8.505630 -1.881696 -1.242029
H -8.512480 -2.176630 0.500398
H -10.847083 -1.868343 -0.353124
H -10.443116 -0.265240 -0.975299
H -10.450102 -0.560542 0.765943


%chk=000228952-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228952

0 1
Cl 3.936328 -1.156446 2.713920
Cl 3.958651 -0.188145 -2.917124
Cl 5.041655 -2.445981 -0.402670
Cl 5.874336 0.385642 0.085708
Cl 1.043207 -2.371775 1.392712
Cl 1.057610 -1.773142 -2.099987
O 1.138774 1.245571 2.602334
O 1.141184 2.028897 -2.023906
N 0.848351 1.694590 0.298652
C 2.999287 0.912228 0.961521
C 3.001447 1.176188 -0.581711
C 3.361139 -0.620989 1.064577
C 3.369221 -0.233965 -1.188506
C 4.404634 -0.740470 -0.111959
C 2.205452 -1.427231 0.452621
C 2.210791 -1.197358 -0.889527
C 1.584195 1.277091 1.434111
C 1.585484 1.673340 -0.910231
C -0.571509 2.095490 0.365484
C -1.525802 0.896345 0.165906
C -3.006003 1.332039 0.229790
C -3.983529 0.151207 0.034769
C -5.468075 0.575820 0.088186
C -6.447182 -0.603707 -0.107333
C -7.932638 -0.180693 -0.060522
C -8.911642 -1.360504 -0.258259
C -10.393638 -0.929691 -0.213393
H 3.752199 1.500311 1.508334
H 3.753606 1.914784 -0.898876
H -0.734864 2.852305 -0.422493
H -0.734816 2.556408 1.356062
H -1.325645 0.137662 0.947107
H -1.318131 0.424688 -0.814110
H -3.199941 2.099280 -0.548527
H -3.208274 1.816432 1.207782
H -3.777357 -0.337910 -0.939959
H -3.792886 -0.615229 0.814531
H -5.658332 1.342558 -0.691903
H -5.674938 1.065941 1.062644
H -6.237897 -1.096341 -1.080118
H -6.259896 -1.369413 0.674582
H -8.144732 0.310662 0.912337
H -8.121501 0.585016 -0.842134
H -8.697857 -1.851958 -1.229602
H -8.723553 -2.124707 0.523583
H -11.071119 -1.791018 -0.360410
H -10.614407 -0.187229 -1.003602
H -10.642783 -0.466295 0.760003


